2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 6-methyl-2-[(E)-piperonylideneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O2S/c1-11-2-4-13-14(8-19)18(23-17(13)6-11)20-9-12-3-5-15-16(7-12)22-10-21-15/h3,5,7,9,11H,2,4,6,10H2,1H3/b20-9+